[3-[4-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[heptyl-[(hexylamino)-oxomethyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[heptyl(hexylcarbamoyl)amino]phenyl]thio]phenyl] ester Formula: C30H44N2O3S MolecularWeight: 512.74696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NCCCCCC

Isomeric SMILES

CCCCCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NCCCCCC

InChI

InChI=1S/C30H44N2O3S/c1-4-7-9-11-13-23-32(30(34)31-22-12-10-8-5-2)25-18-20-27(21-19-25)36-28-17-14-16-26(24-28)35-29(33)15-6-3/h14,16-21,24H,4-13,15,22-23H2,1-3H3,(H,31,34)